Geometry & MOs

Info

ID:	297675
PubChem CID:	117625378
Reduced:	NOF4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	552.072452
ΔH_f, kcal/mol:	-241.68
Dipole, Da:	4.88
IP(EA), eV:	-9.36(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-difluoro-4-[[(3S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidin-3-yl]methoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CNC[C@H](C1C2=CC(=C(C=C2)F)C(F)(F)F)CO

DOS

IR

Vibrations